CID 56936607

1,2-di-(9z-tetradecenoyl)-3-pentadecanoyl-sn-glycerol

Structural Information

Molecular Formula
C46H84O6
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C46H84O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h14-15,17-18,43H,4-13,16,19-42H2,1-3H3/b17-14-,18-15-/t43-/m1/s1
InChIKey
OCPXLQCJPPNQTK-JPCAWIEKSA-N
Compound name
[(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

732.6268 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.63408 291.2
[M+Na]+ 755.61602 291.5
[M+NH4]+ 750.66062 293.5
[M+K]+ 771.58996 293.4
[M-H]- 731.61952 276.7
[M+Na-2H]- 753.60147 288.1
[M]+ 732.62625 288.0
[M]- 732.62735 288.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.